CYANIDIN-3-GLUCOSYLGLUCOSIDE

Structure

2D structure of CYANIDIN-3-GLUCOSYLGLUCOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

CYANIDIN-3-GLUCOSYLGLUCOSIDE

IUPAC name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-((((2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium

SMILES

C1=CC(=C(C=C1C3=C(C=C2C(=CC(=CC2=[O+]3)O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO[C@@H]5[C@H]([C@@H]([C@H]([C@H](CO)O5)O)O)O)O)O)O)O)O

General information

Molecular formula

C27H31O16+

Molecular weight

611.53 g/mol

Monoisotopic mass

611.1607 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Solidago virgaurea L. subsp. virgaurea flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.